diethyl 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]ethyl]propanedioate CAS Name: 2-[2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]ethyl]propanedioate Traditional Name: 2-[2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]ethyl]malonic acid diethyl ester Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H29ClN2O4S/c1-4-13-30-22-24-14-17(25(22)15-16-9-7-8-10-19(16)23)11-12-18(20(26)28-5-2)21(27)29-6-3/h7-10,14,18H,4-6,11-13,15H2,1-3H3